19244
  DSViewer          3D                             0

 31 31  0  0  0  0  0  0  0  0999 V2000
    1.7524    0.9285    0.6689 O   0  0  0  0  0  0  0  0  0  1
    4.2319    1.1421    0.5432 C   0  0  1  0  0  0  0  0  0  2
    2.9391    0.3465    0.1282 C   0  0  1  0  0  0  0  0  0  3
    5.4619    0.4192   -0.0547 C   0  0  0  0  0  0  0  0  0  4
    4.2704   -1.7914    0.0649 C   0  0  1  0  0  0  0  0  0  5
    3.0318   -1.0982    0.6570 C   0  0  0  0  0  0  0  0  0  6
    5.5378   -1.0244    0.4756 C   0  0  0  0  0  0  0  0  0  7
    4.2414    2.6165    0.0042 C   0  0  0  0  0  0  0  0  0  8
    4.3510   -3.2339    0.5943 C   0  0  0  0  0  0  0  0  0  9
    5.5636    3.2903    0.4207 C   0  0  0  0  0  0  0  0  0 10
    3.0840    3.4707    0.5649 C   0  0  0  0  0  0  0  0  0 11
    4.3140    1.1562    1.6389 H   0  0  0  0  0  0  0  0  0 12
    2.8669    0.3255   -0.9680 H   0  0  0  0  0  0  0  0  0 13
    5.3755    0.3998   -1.1411 H   0  0  0  0  0  0  0  0  0 14
    6.3677    0.9552    0.2288 H   0  0  0  0  0  0  0  0  0 15
    4.1910   -1.8062   -1.0315 H   0  0  0  0  0  0  0  0  0 16
    3.1118   -1.0811    1.7439 H   0  0  0  0  0  0  0  0  0 17
    2.1364   -1.6478    0.3667 H   0  0  0  0  0  0  0  0  0 18
    6.4135   -1.5194    0.0556 H   0  0  0  0  0  0  0  0  0 19
    5.6156   -1.0079    1.5627 H   0  0  0  0  0  0  0  0  0 20
    4.1767    2.5959   -1.0928 H   0  0  0  0  0  0  0  0  0 21
    5.2285   -3.7266    0.1756 H   0  0  0  0  0  0  0  0  0 22
    3.4541   -3.7796    0.3013 H   0  0  0  0  0  0  0  0  0 23
    4.4277   -3.2187    1.6815 H   0  0  0  0  0  0  0  0  0 24
    5.5815    4.3157    0.0515 H   0  0  0  0  0  0  0  0  0 25
    6.4026    2.7378   -0.0024 H   0  0  0  0  0  0  0  0  0 26
    5.6432    3.2947    1.5078 H   0  0  0  0  0  0  0  0  0 27
    3.1447    4.4791    0.1556 H   0  0  0  0  0  0  0  0  0 28
    3.1579    3.5152    1.6515 H   0  0  0  0  0  0  0  0  0 29
    2.1313    3.0219    0.2840 H   0  0  0  0  0  0  0  0  0 30
    0.9684    0.3969    0.3868 H   0  0  0  0  0  0  0  0  0 31
  3  1  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  8  1  0  0  0
  2 12  1  0  0  0
  3  6  1  0  0  0
  3 13  1  0  0  0
  4  7  1  0  0  0
  4 14  1  0  0  0
  4 15  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  5  9  1  0  0  0
  5 16  1  0  0  0
  6 17  1  0  0  0
  6 18  1  0  0  0
  7 19  1  0  0  0
  7 20  1  0  0  0
  8 10  1  0  0  0
  8 11  1  0  0  0
  8 21  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
19244

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
120

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGgAACAAADRSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwPAOgAAAAAAAAACAAAIAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexanol

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,2R,5R)-5-methyl-2-propan-2-yl-1-cyclohexanol

> <PUBCHEM_IUPAC_NAME>
(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,2R,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
NOOLISFMXDJSKH-OPRDCNLKSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
156.151

> <PUBCHEM_MOLECULAR_FORMULA>
C10H20O

> <PUBCHEM_MOLECULAR_WEIGHT>
156.265

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC(C(C1)O)C(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]1CC[C@@H]([C@@H](C1)O)C(C)C

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
156.151

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
3  1  5
2  8  5
5  9  5

$$$$
